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Chemical ID: 4523677
Chemical ID:
4523677
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2coc3c2cc4ccc(=O)oc4c3
InChi [?]:
InChI=1/C18H12O3/c1-11-2-4-12(5-3-11)15-10-20-17-9-16-13(8-14(15)17)6-7-18(19)21-16/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,15,16,13,21,9,2,5,14,12,8,20,11,17,18,10,19/E:(2,3)(4,5)/rA:21nCCCCCCCCCOCCCCCCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8s11;d12;s13;s14;d15;s16;d17;s17;d14s19;d11s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33243 |
Area: | 457.614 |
Solvation: | -3.10793 |
Coulombic: | -26.9604 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 276.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.11 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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